N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide

C16H13N7O4 — CID 1129876

IUPACN'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide
SMILESO=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H13N7O4/c24-14(17-19-16(25)12-4-2-1-3-5-12)10-22-20-15(18-21-22)11-6-8-13(9-7-11)23(26)27/h1-9H,10H2,(H,17,24)(H,19,25)
InChIKeyQZNHTOXBGKEVAX-UHFFFAOYSA-N
MW367.33 g/mol
LogP0.71
Rot. Bonds5

About N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide

N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide (PubChem CID 1129876) has the molecular formula C16H13N7O4 and a molecular weight of 367.33 g/mol. Its IUPAC name is N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide
PubChem CID1129876
Molecular FormulaC16H13N7O4
Molecular Weight367.33 g/mol
Exact Mass367.10
IUPAC NameN'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide
SMILESO=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H13N7O4/c24-14(17-19-16(25)12-4-2-1-3-5-12)10-22-20-15(18-21-22)11-6-8-13(9-7-11)23(26)27/h1-9H,10H2,(H,17,24)(H,19,25)
InChIKeyQZNHTOXBGKEVAX-UHFFFAOYSA-N
XLogP0.71
TPSA144.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide (CID 1129876) is N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide is O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide?
The InChIKey is QZNHTOXBGKEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O4/c24-14(17-19-16(25)12-4-2-1-3-5-12)10-22-20-15(18-21-22)11-6-8-13(9-7-11)23(26)27/h1-9H,10H2,(H,17,24)(H,19,25).
What are the key properties of N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide?
N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide has a molecular weight of 367.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[5-(4-nitrophenyl)tetrazol-2-yl]acetyl]benzohydrazide is sourced from PubChem (CID 1129876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).